Generalized self-consistent reaction field theory in a multicenter-multipole ab-initio LCGO framework. I. Electronic properties of the water molecule in a Monte Carlo sample of liquid water molecules studied with standard basis sets
Open Access
- 1 January 1990
- journal article
- research article
- Published by EDP Sciences in Journal de Chimie Physique et de Physico-Chimie Biologique
- Vol. 87 (5) , 875-903
- https://doi.org/10.1051/jcp/1990870875
Abstract
Journal de Chimie Physique et de Physico-Chimie BiologiqueKeywords
This publication has 2 references indexed in Scilit:
- Is the Isotropic Atom—Atom Model Potential Adequate?Molecular Simulation, 1988
- Interaction Models for Water in Relation to Protein HydrationPublished by Springer Nature ,1981